N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide

C14H17ClFN3O2 — CID 128793580

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)N1CCOC2(CNC2)C1
InChIInChI=1S/C14H17ClFN3O2/c15-11-5-10(1-2-12(11)16)6-18-13(20)19-3-4-21-14(9-19)7-17-8-14/h1-2,5,17H,3-4,6-9H2,(H,18,20)
InChIKeyHACCROSRPFAIOF-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.36
Rot. Bonds2

About N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide (PubChem CID 128793580) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
PubChem CID128793580
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)N1CCOC2(CNC2)C1
InChIInChI=1S/C14H17ClFN3O2/c15-11-5-10(1-2-12(11)16)6-18-13(20)19-3-4-21-14(9-19)7-17-8-14/h1-2,5,17H,3-4,6-9H2,(H,18,20)
InChIKeyHACCROSRPFAIOF-UHFFFAOYSA-N
XLogP1.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide (CID 128793580) is N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)N1CCOC2(CNC2)C1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
The InChIKey is HACCROSRPFAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c15-11-5-10(1-2-12(11)16)6-18-13(20)19-3-4-21-14(9-19)7-17-8-14/h1-2,5,17H,3-4,6-9H2,(H,18,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide has a molecular weight of 313.76 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 128793580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).